| SpectraBase Spectrum ID |
DA0cXTOvzeX |
| Name |
CRA13 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-310.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C21H14O2/c22-20-13-12-19(16-9-3-4-10-17(16)20)21(23)18-11-5-7-14-6-1-2-8-15(14)18/h1-13,22H/p+1 |
| InChIKey |
YFYYABPKWABGQX-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C1=CC=C(C2=C1C=CC=C2)C(C1=C2C(=CC=C1)C=CC=C2)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
